3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide

C10H23N3O — CID 62325300

IUPAC3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide
SMILESCCN(CCC(=O)NC)CC(C)CN
InChIInChI=1S/C10H23N3O/c1-4-13(8-9(2)7-11)6-5-10(14)12-3/h9H,4-8,11H2,1-3H3,(H,12,14)
InChIKeyLAPHQRNIMKBHKG-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.04
Rot. Bonds7

About 3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide

3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide (PubChem CID 62325300) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide
PubChem CID62325300
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide
SMILESCCN(CCC(=O)NC)CC(C)CN
InChIInChI=1S/C10H23N3O/c1-4-13(8-9(2)7-11)6-5-10(14)12-3/h9H,4-8,11H2,1-3H3,(H,12,14)
InChIKeyLAPHQRNIMKBHKG-UHFFFAOYSA-N
XLogP0.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide?
The IUPAC name of 3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide (CID 62325300) is 3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide is CCN(CCC(=O)NC)CC(C)CN.
What is the InChIKey of 3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide?
The InChIKey is LAPHQRNIMKBHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-4-13(8-9(2)7-11)6-5-10(14)12-3/h9H,4-8,11H2,1-3H3,(H,12,14).
What are the key properties of 3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide?
3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide has a molecular weight of 201.31 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide is sourced from PubChem (CID 62325300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).